1. Nairat, M. et al., Phys. Chem. Chem. Phys. 2017, 19, 14085
Time-Resolved Signatures Across the Intramolecular Response in Substituted Cyanine Dyes
Muath Nairat
Dantus Research Group
6/20/2017
Nairat, M. et al., Phys. Chem. Chem. Phys. 2017, 19, 14085

2. Cyanines structure & optical response
Absorbance
Guennic B. et al Acc. Chem. Res. 2015, 48, 530
Rosspeintner A. et al Annu. Rev. Phys. Chem. 2015, 64, 247

3. Applications of cyanines Solar energy capture Biomedical imaging
Photodynamic therapy
Zhao Y. et al Adv. Optical Mater. 2014, 2, 606
Ormond A. B. et al Materials. 2013, 6, 817
Fang C. et al Sci. Rep. 6, 21013

4. Unsubstituted cyanine:
Cyanine’s electronic structures
Unsubstituted cyanine:
Substituted cyanine:
Non-polar response
Polar response

5. Synthesis

6. Optical properties Abs. blue shift Substituent Nucleophilicity
Stokes shift
Substituent
Nucleophilicity

7. Experimental Setup

8. Negative Chirp TL
Positive Chirp
Red
Blue

9. Chirp response

10. Ground state structure
PBEα/6-311+G(3d,p)
α=0.456

11. Ground state structure
NBO Charge
on central C (e)
mPi-IR806
0.463
mAn-IR806
0.410
mTF-IR806
0.387
IR806
0.057
PBEα/6-311+G(3d,p)
α=0.456

12. Excited state potential energy surface
CASSCF/6-31G(d)

13. Excited state potential energy surface

14. Excited state potential energy surface

15. Energy relaxation on PES
MEP: minimum energy path

16. Thank you We are looking for students! Dantus Research Group
We are looking for students!
Dantus Research Group
Nairat, M. et al., Phys. Chem. Chem. Phys. 2017, 19, 14085

17. Fluorescence
Stimulated Emission